disodium 4-methoxy-5-[(2-methoxy-5-sulfonato-phenyl)carbamoylamino]-2-nitro-benzenesulfonate

Systemtic Name: disodium 4-methoxy-5-[(2-methoxy-5-sulfonato-phenyl)carbamoylamino]-2-nitro-benzenesulfonate Openeye Name: disodium 4-methoxy-5-[(2-methoxy-5-sulfonato-phenyl)carbamoylamino]-2-nitro-benzenesulfonate CAS Name: disodium 4-methoxy-5-[[(2-methoxy-5-sulfonatoanilino)-oxomethyl]amino]-2-nitrobenzenesulfonate IUPAC Name: disodium 4-methoxy-5-[(2-methoxy-5-sulfonatophenyl)carbamoylamino]-2-nitrobenzenesulfonate Traditional Name: disodium 4-methoxy-5-[(2-methoxy-5-sulfonato-phenyl)carbamoylamino]-2-nitro-besylate Formula: C15H13N3Na2O11S2 MolecularWeight: 521.38676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)[O-])NC(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)[O-])NC(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C15H15N3O11S2.2Na/c1-28-12-4-3-8(30(22,23)24)5-9(12)16-15(19)17-10-6-14(31(25,26)27)11(18(20)21)7-13(10)29-2;;/h3-7H,1-2H3,(H2,16,17,19)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2